Ketcher 06162116232D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
    0.8661    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -1.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0     0  0
  1  2  2  0     0  0
  4  1  1  0     0  0
  3  4  2  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  5  6  2  0     0  0
 10  6  1  0     0  0
  8  7  2  0     0  0
  9  7  1  0     0  0
M  END
> <ID>
CHEBI:16168

> <NAME>
6-hydroxynicotinic acid

> <DEFINITION>
A monohydroxypyridine that is the 6-hydroxy derivative of nicotinic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:2200; CHEBI:12219; CHEBI:20731

> <SYNONYM>
6-Hydroxynicotinic acid; 6-Hydroxynicotinate

> <IUPAC_NAME>
6-hydroxypyridine-3-carboxylic acid

> <FORMULA>
C6H5NO3

> <MASS>
139.110

> <MONOISOTOPIC_MASS>
139.02694

> <CHARGE>
0

> <SMILES>
OC(=O)C1=CC=C(O)N=C1

> <INCHI>
InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)

> <INCHIKEY>
BLHCMGRVFXRYRN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
115991

> <CAS_REGISTRY_NUMBER>
5006-66-6

> <REAXYS_REGISTRY_NUMBER>
115991

> <CHEMIDPLUS>
5006-66-6

> <KEGG_COMPOUND_ACCESSION>
C01020

> <KNAPSACK_ACCESSION>
C00007415

> <NIST_CHEMISTRY_WEBBOOK>
5006-66-6

> <PDBECHEM_ACCESSION>
OA7

> <PUBMED_CITATION>
13463004; 14389240; 15759292; 18338586; 21389975; 22770225; 30810301; 31697703; 3926801; 5079068; 5128334; 5128335; 5498533; 5767303

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